3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
C121H99Cl7F8N12O7S6 — CID 159458313
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
SMILESCOc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cncs2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2sc(C)cc2C)cc1-c1cccc(Cl)c1.Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.FC(F)Oc1ncc(Cc2nccs2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2NOS.C19H18ClNOS.2C17H13ClF2N2OS.C17H15ClN2O.C16H11ClF2N2OS.C16H13ClN2OS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22;1-12-7-13(2)23-18(12)9-14-8-17(19(22-3)21-11-14)15-5-4-6-16(20)10-15;2*1-10-21-9-14(24-10)5-11-6-15(12-3-2-4-13(18)7-12)16(22-8-11)23-17(19)20;1-21-17-16(14-3-2-4-15(18)9-14)8-13(11-20-17)7-12-5-6-19-10-12;17-12-3-1-2-11(8-12)13-6-10(7-14-20-4-5-23-14)9-21-15(13)22-16(18)19;1-20-16-15(12-3-2-4-13(17)7-12)6-11(8-19-16)5-14-9-18-10-21-14/h3-7,9-10,19H,8H2,1-2H3;4-8,10-11H,9H2,1-3H3;2*2-4,6-9,17H,5H2,1H3;2-5,8-11H,6-7H2,1H3;1-6,8-9,16H,7H2;2-4,6-10H,5H2,1H3
InChIKeyLUGNUMCNJCXXTB-UHFFFAOYSA-N
MW2425.76 g/mol
LogP36.14
Rot. Bonds32
About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine (PubChem CID 159458313) has the molecular formula C121H99Cl7F8N12O7S6 and a molecular weight of 2425.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine.
Molecular Properties
| Compound Name | 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine |
|---|---|
| PubChem CID | 159458313 |
| Molecular Formula | C121H99Cl7F8N12O7S6 |
| Molecular Weight | 2425.76 g/mol |
| Exact Mass | 2420.38 |
| IUPAC Name | 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine |
| SMILES | COc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cncs2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2sc(C)cc2C)cc1-c1cccc(Cl)c1.Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.FC(F)Oc1ncc(Cc2nccs2)cc1-c1cccc(Cl)c1 |
| InChI | InChI=1S/C19H16ClF2NOS.C19H18ClNOS.2C17H13ClF2N2OS.C17H15ClN2O.C16H11ClF2N2OS.C16H13ClN2OS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22;1-12-7-13(2)23-18(12)9-14-8-17(19(22-3)21-11-14)15-5-4-6-16(20)10-15;2*1-10-21-9-14(24-10)5-11-6-15(12-3-2-4-13(18)7-12)16(22-8-11)23-17(19)20;1-21-17-16(14-3-2-4-15(18)9-14)8-13(11-20-17)7-12-5-6-19-10-12;17-12-3-1-2-11(8-12)13-6-10(7-14-20-4-5-23-14)9-21-15(13)22-16(18)19;1-20-16-15(12-3-2-4-13(17)7-12)6-11(8-19-16)5-14-9-18-10-21-14/h3-7,9-10,19H,8H2,1-2H3;4-8,10-11H,9H2,1-3H3;2*2-4,6-9,17H,5H2,1H3;2-5,8-11H,6-7H2,1H3;1-6,8-9,16H,7H2;2-4,6-10H,5H2,1H3 |
| InChIKey | LUGNUMCNJCXXTB-UHFFFAOYSA-N |
| XLogP | 36.14 |
| TPSA | 218.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 161 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2425.76 |
| LogP ≤ 5 | 36.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine (CID 159458313) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine is COc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cncs2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2sc(C)cc2C)cc1-c1cccc(Cl)c1.Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.FC(F)Oc1ncc(Cc2nccs2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
The InChIKey is LUGNUMCNJCXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2NOS.C19H18ClNOS.2C17H13ClF2N2OS.C17H15ClN2O.C16H11ClF2N2OS.C16H13ClN2OS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22;1-12-7-13(2)23-18(12)9-14-8-17(19(22-3)21-11-14)15-5-4-6-16(20)10-15;2*1-10-21-9-14(24-10)5-11-6-15(12-3-2-4-13(18)7-12)16(22-8-11)23-17(19)20;1-21-17-16(14-3-2-4-15(18)9-14)8-13(11-20-17)7-12-5-6-19-10-12;17-12-3-1-2-11(8-12)13-6-10(7-14-20-4-5-23-14)9-21-15(13)22-16(18)19;1-20-16-15(12-3-2-4-13(17)7-12)6-11(8-19-16)5-14-9-18-10-21-14/h3-7,9-10,19H,8H2,1-2H3;4-8,10-11H,9H2,1-3H3;2*2-4,6-9,17H,5H2,1H3;2-5,8-11H,6-7H2,1H3;1-6,8-9,16H,7H2;2-4,6-10H,5H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine has a molecular weight of 2425.76 g/mol, XLogP of 36.14, 32 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine is sourced from PubChem (CID 159458313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159458313 — identifiers, structure, computed properties (public domain)
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